UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814026
11814026

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Popular Name: N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide N-[[(2S)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 -2.61 -12.11 1 5 0 64 363.87 6 ↓

Analogs

11814024
11814024

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Popular Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide N-[[(2R)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 -2.61 -12.13 1 5 0 64 363.87 6 ↓

Analogs

12034338
12034338

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Popular Name: N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-3,3-dimethyl-butanamide N-[[(2S)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 -1.34 -11.09 1 5 0 64 359.857 5 ↓

Analogs

12034336
12034336

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Popular Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-3,3-dimethyl-butanamide N-[[(2R)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 -1.34 -11.1 1 5 0 64 359.857 5 ↓

Analogs

12034710
12034710

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Popular Name: N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-4-dimethylamino-butanamide N-[[(2S)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 -1.51 -43.78 2 6 1 69 375.88 7 ↓

Analogs

12034706
12034706

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Popular Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-4-dimethylamino-butanamide N-[[(2R)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 -1.52 -43.85 2 6 1 69 375.88 7 ↓

Analogs

12038388
12038388

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Popular Name: N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]acetamide N-[[(2S)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 -2.31 -12.91 1 5 0 64 303.749 3 ↓

Analogs

12038385
12038385

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Popular Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]acetamide N-[[(2R)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 -2.29 -12.79 1 5 0 64 303.749 3 ↓

Analogs

12212750
12212750

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Popular Name: N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide N-[[(2S)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 -1.61 -12.29 1 5 0 64 343.814 6 ↓

Analogs

12212748
12212748

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Popular Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide N-[[(2R)-7-chloro-5-pyrimidin-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 -1.61 -12.4 1 5 0 64 343.814 6 ↓

Parameters Provided:

ring.id = 47072
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 47072 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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